SCHEMBL3516029

SCHEMBL3516029

C=CCP(=O)(O)CC(CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 2/20 0.40
FOLH1 Q04609 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3514733 0.72 GRM3 (0.53) GRM3FOLH1
SCHEMBL27615261 0.71 SMN1; SMN2 (0.42) FOLH1
SCHEMBL28685286 0.69 LTA4H (0.56)
SCHEMBL21690121 0.69 LTA4H (0.56)
SCHEMBL14947069 0.69 CYP1A2 (0.43)
SCHEMBL7850584 0.69 LTA4H (0.56)
Water SCHEMBL29398886 0.68 LTA4H (0.55)
Water SCHEMBL29401417 0.68 LTA4H (0.55)
SCHEMBL3516033 0.68 ALDH1A1 (0.38)
SCHEMBL29412205 0.68 CASP1 (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2011-12-29 US disclosed
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2010-11-04 US disclosed
US-7264956-B2 N-alpha-acyl-glutamine-aminoacylase for identifying enzyme inhibitors which prevent/supress sweating odor; deodorants GIVAUDAN SA (CH) 2007-09-04 US disclosed
EP-1811034-A2 Compounds and method for inhibiting axillary malodour Givaudan SA (CH) 2007-07-25 EP disclosed
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour GIVAUDAN SA (CH) 2004-12-02 US disclosed
EP-1387891-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR Givaudan SA (CH) 2004-02-11 EP disclosed
WO-2002092024-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2002-11-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH GRM3 4378/4885FOLH1 464/4885
US-20100278768-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH GRM3 4378/4885FOLH1 464/4885
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 GRM3 4209/4885FOLH1 503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.